(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone

C14H16F2O — CID 55120292

IUPAC(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H16F2O/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h6-10H,2-5H2,1H3
InChIKeyQIMZWUCMVWKURT-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.97
Rot. Bonds2

About (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone

(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone (PubChem CID 55120292) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
PubChem CID55120292
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H16F2O/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h6-10H,2-5H2,1H3
InChIKeyQIMZWUCMVWKURT-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 114975097
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
(2-amino-3-fluorophenyl)-(4-methylcyclohexyl)methanone
CID 116597755
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
(6-fluoro-1-benzothiophen-2-yl)-(4-methylcyclohexyl)methanone
CID 114975116
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone (CID 55120292) is (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is QIMZWUCMVWKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h6-10H,2-5H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone?
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 238.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 55120292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).